J3.657.889K
TL;DR: J3.657.889K (CAS 111659-06-4) is a chemical compound with molecular formula C18H11Cl2N3S and molecular weight 371.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: J3.657.889K, 2-[4-(4-Chlorophenyl)thiazole-2-yl]-3-(4-chloroanilino)acrylonitrile, (2E)-3-[(4-chlorophenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((4-chlorophenyl)amino)-2-(4-(4-chlorophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(4-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H11Cl2N3S |
|---|---|
| Molecular Weight | 371.01 g/mol |
| LogP | 6.09348 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.00507 |
| Heavy Atoms | 24 |
| Complexity | 906.68695 |
Chemical Identifiers
| CAS Number | 111659-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)Cl)/C#N)Cl |
Product Overview
J3.657.889K (CAS 111659-06-4), with molecular formula C18H11Cl2N3S and molecular weight 371.01 g/mol. IUPAC: (E)-3-(4-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of J3.657.889K
Property Insights of J3.657.889K
The XLogP value of 6.09348 indicates that J3.657.889K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, J3.657.889K exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.657.889K has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J3.657.889K?
The CAS number of J3.657.889K is 111659-06-4.
What is the molecular formula of J3.657.889K?
The molecular formula of J3.657.889K is C18H11Cl2N3S.
What is the molecular weight of J3.657.889K?
The molecular weight of J3.657.889K is 371.01 g/mol.
Where can I buy J3.657.889K?
You can request a quote for J3.657.889K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.657.889K?
Yes, KEHONG BIO provides custom synthesis services for J3.657.889K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.